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M  END
> <ID>
CHEBI:89400

> <NAME>
stigmastanol

> <DEFINITION>
A 3-hydroxy steroid that is 5α-stigmastane which is substituted at the 3β position by a hydroxy group.

> <STAR>
3

> <SYNONYM>
sitostanol; fucostanol; dihydrositosterin; 5,6-dihydro-beta-sitosterol; 24alpha-ethylcholestanol; (3beta,5alpha,20S)-stigmastan-3-ol; (3beta,5alpha)-stigmastan-3-ol

> <IUPAC_NAME>
(5alpha)-stigmastan-3beta-ol

> <FORMULA>
C29H52O

> <MASS>
416.724

> <MONOISOTOPIC_MASS>
416.40182

> <CHARGE>
0

> <SMILES>
[C@@]12(CC[C@@H](C[C@@]1(CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@@](CC[C@H](C(C)C)CC)(C)[H])[H])[H])C)[H])[H])[H])O)C

> <INCHI>
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1

> <INCHIKEY>
LGJMUZUPVCAVPU-HRJGVYIJSA-N

> <CAS_REGISTRY_NUMBER>
83-45-4

> <CHEMIDPLUS>
83-45-4

> <KEGG_COMPOUND_ACCESSION>
C19644

> <KNAPSACK_ACCESSION>
C00032163

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST01040128

> <METACYC_ACCESSION>
CPD-8481

> <NIST_CHEMISTRY_WEBBOOK>
83-45-4

> <WIKIPEDIA_ACCESSION>
Stigmastanol

> <PUBMED_CITATION>
10517218; 10539742; 11060358; 16331855; 16487675; 1730022

$$$$